methyl 2-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(3-methyl-5-phenyl-isoxazole-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(3-methyl-5-phenyl-4-isoxazolyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-methyl-5-phenyl-1,2-oxazole-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3-methyl-5-phenyl-isoxazole-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=NOC(=C1C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C21H20N2O4S/c1-12-16(18(27-23-12)13-8-4-3-5-9-13)19(24)22-20-17(21(25)26-2)14-10-6-7-11-15(14)28-20/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,22,24)